SCHEMBL7544978

SCHEMBL7544978

CCCCCCCCC1(CCCCCCCC)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 12/20 0.38
GNAI3 P08754 11/20 0.38
GNAI1 P63096 11/20 0.38
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL31310728 0.98 GNAO1 (0.37) GNAO1GNAI3GNAI1TSHRTHRB
SCHEMBL7086547 0.98 GNAO1 (0.35) GNAO1GNAI3GNAI1TSHRTHRB
Hydrochloric Acid SCHEMBL6220254 0.95 GNAO1 (0.38) GNAO1GNAI3GNAI1CYP19A1
SCHEMBL27483509 0.92 GNAO1 (0.34) GNAO1GNAI3GNAI1TSHRGAA
SCHEMBL27560213 0.92 GNAO1 (0.34) GNAO1GNAI3GNAI1TSHRGAA
SCHEMBL27497819 0.92 GNAO1 (0.34) GNAO1GNAI3GNAI1TSHRGAA
SCHEMBL30481636 0.91 HSD17B10 (0.34) GNAO1GNAI3GNAI1GAA
SCHEMBL5805215 0.85 GAA (0.39) GAA
SCHEMBL28008290 0.83 TSHR (0.47) TSHRTHRB
SCHEMBL27527033 0.83 HSD17B10 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604909-B The non-aromatic cyclosubstituted triterpenoid that haloalkylsubstituents are had at 3 with HIV maturation inhibitory activity VIIV保健英国第四有限公司 2019-02-15 CN disclosed
EP-1204413-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS Bioparken AS (NO) 2002-05-15 EP disclosed
WO-2001007047-A2 CONTROL OF CRUSTACEAN INFESTATION OF AQUATIC ANIMALS BIOPARKEN AS (NO) 2001-02-01 WO disclosed